4-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-N-[(3S)-piperidin-1-ium-3-yl]pyrimidin-2-amine

Systemtic Name: 4-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-N-[(3S)-piperidin-1-ium-3-yl]pyrimidin-2-amine Openeye Name: 4-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-N-[(3S)-piperidin-1-ium-3-yl]pyrimidin-2-amine CAS Name: 4-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-N-[(3S)-3-piperidin-1-iumyl]-2-pyrimidinamine IUPAC Name: 4-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(3S)-piperidin-1-ium-3-yl]pyrimidin-2-amine Traditional Name: [4-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)pyrimidin-2-yl]-[(3S)-piperidin-1-ium-3-yl]amine Formula: C20H25N6+ MolecularWeight: 349.4527

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C3=NC(=NC=C3)NC4CCC[NH2+]C4

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)C3=NC(=NC=C3)N[C@H]4CCC[NH2+]C4

InChI

InChI=1S/C20H24N6/c1-14-19(15(2)26(25-14)17-8-4-3-5-9-17)18-10-12-22-20(24-18)23-16-7-6-11-21-13-16/h3-5,8-10,12,16,21H,6-7,11,13H2,1-2H3,(H,22,23,24)/p+1/t16-/m0/s1